SCHEMBL16856504

SCHEMBL16856504

C#Cc1ccc(-c2ccccc2)cc1-c1cc(C)c(C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAP4K4 O95819 3/20 0.35
▸ USP7 Q93009 1/20 0.35
▸ FYN P06241 2/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14654498 0.82 LDHA (0.44) LDHANPC1RAB9AFLT3PDGFRB
SCHEMBL23879663 0.79 LDHA (0.47) LDHANPC1RAB9AFLT3PDGFRB
SCHEMBL19454849 0.77 LDHA (0.59) LDHANPC1RAB9AFLT3PDGFRB
SCHEMBL19235144 0.76 LDHA (0.39) LDHANPC1RAB9AFLT3PDGFRB
SCHEMBL26532566 0.75 CYP11B1 (0.43) LDHACYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL13834213 0.74 LDHA (0.51) LDHANPC1RAB9AFLT3PDGFRB
SCHEMBL11808727 0.73 NPC1 (0.40) NPC1CYP11B1CYP11B2KDM4EMEN1
SCHEMBL19454850 0.73 LDHA (0.47) LDHANPC1RAB9AFLT3PDGFRB
SCHEMBL2481915 0.73 LDHA (0.62) LDHANPC1RAB9AFLT3PDGFRB
SCHEMBL29507311 0.73 LDHA (0.62) LDHANPC1RAB9AFLT3PDGFRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015093814-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-06-25 — — WO disclosed
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